N-[3-[[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]carbamoyl]-2-methyl-phenyl]quinoline-2-carboxamide

Systemtic Name: N-[3-[[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]carbamoyl]-2-methyl-phenyl]quinoline-2-carboxamide Openeye Name: N-[3-[[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]carbamoyl]-2-methyl-phenyl]quinoline-2-carboxamide CAS Name: N-[3-[[[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]amino]-oxomethyl]-2-methylphenyl]-2-quinolinecarboxamide IUPAC Name: N-[3-[[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]carbamoyl]-2-methylphenyl]quinoline-2-carboxamide Traditional Name: N-[3-[[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]carbamoyl]-2-methyl-phenyl]quinaldamide Formula: C43H42N4O4S MolecularWeight: 710.88298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NC(CSC4=CC5=CC=CC=C5C=C4)C(CC6=CC=CC=C6C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NC(CSC4=CC5=CC=CC=C5C=C4)C(CC6=CC=CC=C6C(=O)NC(C)(C)C)O

InChI

InChI=1S/C43H42N4O4S/c1-27-33(17-11-19-35(27)45-42(51)37-23-21-29-13-8-10-18-36(29)44-37)40(49)46-38(26-52-32-22-20-28-12-5-6-14-30(28)24-32)39(48)25-31-15-7-9-16-34(31)41(50)47-43(2,3)4/h5-24,38-39,48H,25-26H2,1-4H3,(H,45,51)(H,46,49)(H,47,50)